Information card for entry 7104567

Structure parameters

• Formula: C33 H48 N O2 S
• Calculated formula: C33 H48 N O2 S
• Title of publication: Bio-inspired polyene cyclization: aziridinyl polyene cyclization catalyzed by InBr(3).
• Authors of publication: Zhao, Yu-Jun; Tan, Li-Jun Serena; Li, Bin; Li, Si-Min; Loh, Teck-Peng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 25
• Pages of publication: 3738 - 3740
• a: 15.953 ± 0.001 Å
• b: 10.3665 ± 0.0007 Å
• c: 19.6283 ± 0.0011 Å
• α: 90°
• β: 112.573 ± 0.002°
• γ: 90°
• Cell volume: 2997.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1127
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.2122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No